Data quality metrics extracted from 7b6p.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "3a5deac95cf9121c73c382e7f7fc09f2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.59,
    "b": 58.94,
    "c": 74.38,
    "alpha": 96.72,
    "beta": 91.48,
    "gamma": 104.47
  },
  "wavelengths": [0.97622],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.60,1.68],
    "number_observations_unique": 105615,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.72,1.68],
      "number_observations_unique": 7696,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.384
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):